CAS: 86454-13-9; 2-Hydroxy-6-Methylisonicotinic Acid

该化合物是一种具有丙烯酮核心结构的杂交碳酸衍生物,该化合物具有合成化学的多种中间体的潜力,因此对制药和农用化学研究感兴趣,其结构特征,包括反应式碳oxylic酸组和2-pyridone mothy,使其适合进一步功能化,能够合成更复杂的分子.该化合物显示极地有机溶剂中温和性,便于在各种反应条件下使用.在标准储存条件下,其稳定性和定义明确的纯度使它成为医药化学和材料科学应用的可靠建筑块.

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相似化合物

98491-78-2 150190-03-7 54221-94-2

物理性质

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ECHA物质C&L通报

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CAS号18724-73-7 甲基 3-氰基-2-羟基-6-... | CAS号615-79-2 乙酰丙酮酸乙酯 | CAS号20577-61-1 乙酰丙酮酸甲酯 | CAS号18619-97-1 3-氰基-2-羟基-6-甲基异烟酸乙酯 | CAS号98436-89-6 4-Pyridinecarbo... | CAS号3998-90-1 2-氯-6-甲基-异烟酸甲酯 | CAS号19353-99-2 2-氯-6-甲基-异烟酸肼 | CAS号98491-78-2 1,2-二氢-6-甲基-2-氧... | CAS号4021-11-8 2-甲基-4-羧基吡啶 | CAS号16830-24-3 2-甲基-4-吡啶羧酸甲酯 | CAS号25462-85-5 2-氯-6-甲基异烟酸 | CAS号26413-58-1 2-氯-6-甲基吡啶-4-羰酰氯 | CAS号3758-59-6 2-甲基异烟酰肼

合成工艺路线路线简述

  • 18724-73-7 = 86454-13-9
    反应条件:1.1 Reagents: Hydrochloric Acid Solvents: Water; 15 H,Reflux
    标题:Practical And Scalable Synthesis Of S1P1 Receptor Agonist Act-209905
    作者:Schmidt,Gunther; Et Al
    参考文献:Organic Process Research & Development 日期:2012 卷标:16(4) 页码:595-604]

    18619-97-1 = 86454-13-9
    反应条件:1.1 Reagents: Hydrochloric Acid Solvents: Water; Rt -> 115 °C; 24 H,115 °C
    标题:Construction And Functionalization Of Fused Pyridine Ring Leading To Novel Compounds As Potential Antitubercular Agents
    作者:Dulla,Balakrishna; Et Al
    参考文献:Bioorganic & Medicinal Chemistry Letters 日期:2012 卷标:22(14) 页码:4629-4635]

    18619-97-1 = 86454-13-9
    反应条件:1.1 Reagents: Hydrochloric Acid,Water Solvents: Water
    标题:Antituberculosis Chemotherapy. Vi. Isonicotinic Thioamides Substituted In Position Two By A Hydrocarbon Radical
    作者:Libermann,David; Et Al
    参考文献:Bulletin De La Societe Chimique De France 日期:1958 卷标:687 页码:687-94]

    86454-12-8 = 86454-13-9
    反应条件:1.1 Reagents: Hydrochloric Acid
    标题:Reaction Of β-Aminocrotonamide With Dibasic Acid Derivatives
    作者:Sato,Masayuki; Et Al
    参考文献:Journal Of Heterocyclic Chemistry 日期:1983 卷标:20(1) 页码:87-91]

    107-91-5 = 86454-13-9
    反应条件:1.1 Reagents: Sodium Solvents: Ethanol; 1 H,Rt; Overnight,Rt1.2 3 H,Rt1.3 Rt -> 80 °C; 7 H,80 °C1.4 Solvents: Water; Heated1.5 Reagents: Acetic Acid; Cooled2.1 Reagents: Hydrochloric Acid Solvents: Water; Rt -> 115 °C; 24 H,115 °C
    标题:Construction And Functionalization Of Fused Pyridine Ring Leading To Novel Compounds As Potential Antitubercular Agents
    作者:Dulla,Balakrishna; Et Al
    参考文献:Bioorganic & Medicinal Chemistry Letters 日期:2012 卷标:22(14) 页码:4629-4635]

    107-91-5 = 86454-13-9
    反应条件:1.1 Reagents: Sodium Solvents: Ethanol; 1 H; Overnight1.2 Rt; 3 H,Rt1.3 6 H,Rt -> 80 °C1.4 Solvents: Acetic Acid,Water; Heated2.1 Reagents: Hydrochloric Acid Solvents: Water; 24 H,Rt -> Reflux
    标题:6,6'-Dimethyl-2,2'-Bipyridine-4-Ester: A Pivotal Synthon For Building Tethered Bipyridine Ligands
    作者:Havas,Fabien; Et Al
    参考文献:Tetrahedron 日期:2009 卷标:65(36) 页码:7673-7686]

    18619-97-1 = 86454-13-9
    反应条件:1.1 Reagents: Hydrochloric Acid Solvents: Water; 24 H,Rt -> Reflux
    标题:6,6'-Dimethyl-2,2'-Bipyridine-4-Ester: A Pivotal Synthon For Building Tethered Bipyridine Ligands
    作者:Havas,Fabien; Et Al
    参考文献:Tetrahedron 日期:2009 卷标:65(36) 页码:7673-7686]

    107-91-5 = 86454-13-9
    反应条件:1.1 Solvents: Methanol; 25 Min,60 °C; 45 Min,60 °C1.2 15 Min,60 °C; 60 Min,60 °C1.3 Reagents: Acetic Acid; 60 °C; 60 °C -> 5 °C2.1 Reagents: Hydrochloric Acid Solvents: Water; 15 H,Reflux
    标题:Practical And Scalable Synthesis Of S1P1 Receptor Agonist Act-209905
    作者:Schmidt,Gunther; Et Al
    参考文献:Organic Process Research & Development 日期:2012 卷标:16(4) 页码:595-604
📜乙酰丙酮酸甲酯置于盐酸体系中,用 甲醇,水 作为反应溶剂,化学反应 22.25H,反应生成 2-羟基-6-甲基吡啶-4-羧酸
参考文献:Practical And Scalable Synthesis Of S1P1 Receptor Agonist Act-209905
标题:Practical And Scalable Synthesis Of S1P1 Receptor Agonist Act-209905
摘要:A Practical And Scalable Route For The Fast Delivery Of 12 Kg Of S1P(1) Agonist (Act-209905) Has Been Developed. Act-209905 Is Composed Of An Amino Pyridine Group,An Oxadiazole Spacer,A 2-Ethyl-5-Methylphenol Moiety And A Chiral 1-Amino-2-Propanol Side Chain. The Convergent Synthesis Consists Of 16 Steps With 9 Isolated Intermediates And Is Chromatography-Free. Key Building Blocks Are Accessed From Low-Cost Starting Materials,Such As Acetone,Diethyl Oxalate,Cyanoacetamide,And 2-Ethyl-5-Methyl Aniline. A Negishi Coupling That Was Troubled By The Use Of Metal Reagents And Concomitant Metal Waste Streams Has Been Replaced By A Less Expensive Guareschi-Thorpe Reaction To Build Up An Amino Isonicotinic Acid. The Chiral 1-Amino-2-Propanol Moiety Was Secured By Selective Ring-Opening Of An Epoxide With Lithium Hexamethyldisilazide As An Ammonia Surrogate,Thus Omitting The Notorious Double Alkylated Byproduct.
DOI:10.1021/op200326S

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合成参考文献


参考文献:10.1016/j.bmcl.2012.05.096
摘要:Dulla B, Wan B, Franzblau SG, Kapavarapu R, Reiser O, Iqbal J, Pal M. Construction and functionalization of fused pyridine ring leading to novel compounds as potential antitubercular agents. Bioorganic & Medicinal Chemistry Letters. 2012 Jul;22(14):4629–35. doi: 10.1016/j.bmcl.2012.05.096.
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